3-[4-(2,3-dimethylphenyl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(2,3-dimethylphenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(2,3-dimethylbenzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(2,3-dimethylphenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(2,3-dimethylbenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(2,3-dimethylbenzoyl)piperazino]propionic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)N2CCN(CC2)CCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)N2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C16H22N2O3/c1-12-4-3-5-14(13(12)2)16(21)18-10-8-17(9-11-18)7-6-15(19)20/h3-5H,6-11H2,1-2H3,(H,19,20)